SCHEMBL9513301

SCHEMBL9513301

Clc1ccc(C(c2ccccc2)N2CCN(CCSc3nc4ccccc4n3Cc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
TBXA2R P21731 5/20 0.56
P2RX7 Q99572 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HRH1 P35367 3/20 0.48
OPRK1 P41145 3/20 0.48
KCNH2 Q12809 3/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 2/20 0.48
CYP2D6 P10635 2/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADRA2C P18825 2/20 0.48
CNR1 P21554 2/20 0.48
DRD4 P21917 2/20 0.48
HRH2 P25021 2/20 0.48
HTR2A P28223 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9511594 0.81 L3MBTL1 (0.60) DRD2TBXA2RL3MBTL1MEN1KMT2A
SCHEMBL4428203 0.76 NPSR1 (0.58) HRH1KCNH2CYP3A4MEN1KMT2A
SCHEMBL9511640 0.75 RAB9A (0.58) DRD2TBXA2RHRH1OPRK1KCNH2
SCHEMBL588110 0.73 KCNH2 (0.78) DRD2TBXA2RHRH1OPRK1KCNH2
SCHEMBL3611802 0.73 KCNH2 (0.78) DRD2TBXA2RHRH1OPRK1KCNH2
SCHEMBL588111 0.73 KCNH2 (0.78) DRD2TBXA2RHRH1OPRK1KCNH2
SCHEMBL4435849 0.73 HTR3A (0.67) P2RX7HRH1KCNH2CYP2D6CHRM1
SCHEMBL8312716 0.73 P2RX7 (0.71) DRD2P2RX7HRH1OPRK1KCNH2
Hydrochloric Acid SCHEMBL587709 0.72 LMNA (0.79) DRD2TBXA2RHRH1OPRK1KCNH2
Hydrochloric Acid SCHEMBL588128 0.72 LMNA (0.79) DRD2TBXA2RHRH1OPRK1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334818-B1 Pharmacologically active alkylthiobenz imidazole derivatives and process for the preparation thereof DOMPE FARMACEUTICI SPA (IT) 1993-12-01 EP disclosed
US-4983620-A ANTIHISTAMINES, ANTIALLERGENS DOMPE FARMACEUTICI S.P.A. (IT) 1991-01-08 US disclosed